For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-3-CARBOXY-2-[3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENYLOXY]-PENTANEDIOIC-ACID;2-O-CAFFEOYL-ISOCITRIC-ACID
SpectraBase Compound ID BBMNYOkWboU
InChI InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+
InChIKey KYSQDMNDMYECNZ-DUXPYHPUSA-N
Mol Weight 354.27 g/mol
Molecular Formula C15H14O10
Exact Mass 354.058697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID D8ETpcAgPJP
Name (E)-3-CARBOXY-2-[3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENYLOXY]-PENTANEDIOIC-ACID;2-O-CAFFEOYL-ISOCITRIC-ACID
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H14O10
InChI InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+
InChIKey KYSQDMNDMYECNZ-DUXPYHPUSA-N
Literature Reference Author I.PARVEEN,A.WINTERS,M.D.THREADGILL,B.HAUCK,P.MORRIS
Literature Reference Citation PHYTOCHEM.,69,2799(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.08.019
Molecular Weight 354.270 g/mol
Sample ID 63841
Solvent CD3OD